Basic information
- CAS
5608-13-9- Standard SMILES
CCN(CC)CCNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC- InChIKey
CUDFIXBYMDJBQT-UHFFFAOYSA-N- Molecular formula
- C16H24ClN3O3
- Average molar mass
- 341.83 g/mol
- Monoisotopic mass
- 341.1506193
Names & identifiers
- Preferred name
- 4-(Acetylamino)-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide
- IUPAC
- 4-acetamido-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
- English name
- 4-(acetylamino)-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
- Molecular formula
- C16H24ClN3O3
- Molecular weight
- 341.83
Names & synonyms
N-Acetyl Metoclopramide4-(ACETYLAMINO)-5-CHLORO-N-[2-(DIETHYLAMINO)ETHYL]-2-METHOXYBENZAMIDEEINECS 227-027-2UNII-W90XX7T267W90XX7T267DTXSID902046364-(Acetylamino)-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamideBenzamide, 4-(acetylamino)-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy-METOCLOPRAMIDE IMPURITY A [EP IMPURITY]METOCLOPRAMIDE IMPURITY A (EP IMPURITY)RefChem:198589DTXCID20127127
Show more names
Metoclopramide RC A (USP)Metoclopramide Impurity57N-[2-(DiethylaMino)ethyl]-2Metoclopramide BP Impurity AMetoclopraMide Related CoMpound A4-(Acetylamino)-5-chloro-N-[2-(dietMetoclopramide USP Related Compound A
5608-13-94-Acetamido-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide4-acetamido-5-chloro-n-[2-(diethylamino)ethyl]-2-methoxybenzamideMetoclopramide EP Impurity AN-AcetylMetoclopramide-d3Metoclopramide impurity A CRSSCHEMBL5925593SCHEMBL31437345
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Melting point
- 99 · 99-101℃
- Boiling point
- 488.1 · 488.1±45.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- form
- powder
- pka
- 13.24 · 13.24±0.70(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C10H13NO4S/c1-7-3-5-9(6-4-7)16(14,15)11-10(13)8(2)12/h3-6,8,12H,1-2H3,(H,11,13)
- InChIKey
- UGYBMUFRMSFALF-UHFFFAOYSA-N
- SMILES
- [S](=O)(=O)(NC(=O)C(O)C)c1ccc(cc1)C
- FDA UNII
- 90 XX7T267 · W90XX7T267
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2924296000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesN-Acetyl Metoclopramide is a related compound of Metoclopramide (M338685).
Suppliers73 total
天津始加生物医药科技有限公司15022261580 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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